Generated using Vanderbilt code, version 7 3 4 Author: unknown Generation date: 4 3 5 Automatically converted from original format 1 The Pseudo was generated with a Scalar-Relativistic Calculation 2.00000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 3D 3 2 10.00 10.00000000000 2.00000000000 -0.76602667847 4S 4 0 2.00 10.00000000000 2.00000000000 -0.45757007386 0 Version Number Zn Element US Ultrasoft pseudopotential F Nonlinear Core Correction SLA PZ NOGX NOGC PZ Exchange-Correlation functional 12.00000000000 Z valence -126.70468141890 Total energy 0.0000000 0.0000000 Suggested cutoff for wfc and rho 2 Max angular momentum component 869 Number of points in mesh 2 6 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 3D 2 10.00 4S 0 2.00 0.00000000000E+00 1.41236030267E-06 2.84886293360E-06 4.30992057220E-06 5.79595295206E-06 7.30738698153E-06 8.84465686636E-06 1.04082042344E-05 1.19984782627E-05 1.36159358060E-05 1.52610415287E-05 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-9.65367309872E-03 -1.02079011557E-02 -1.07950769551E-02 -1.14172228892E-02 -1.20764875369E-02 -1.27751528131E-02 -1.35156424543E-02 -1.43005300848E-02 -1.51325483749E-02 -1.60145980528E-02 -1.69497579397E-02 -1.79412948126E-02 -1.89926743343E-02 -2.01075715960E-02 -2.12898837048E-02 -2.25437397800E-02 -2.38735159063E-02 -2.52838447460E-02 -2.67796318752E-02 -2.83660657777E-02 -3.00486348194E-02 -3.18331376327E-02 -3.37257004962E-02 -3.57327877513E-02 -3.78612191396E-02 -4.01181799736E-02 -4.25112378436E-02 -4.50483518857E-02 -4.77378881272E-02 -5.05886272133E-02 -5.36097774841E-02 -5.68109796147E-02 -6.02023167614E-02 -6.37943148710E-02 -6.75979468756E-02 -7.16246298857E-02 -7.58862180423E-02 -8.03949958684E-02 -8.51636591454E-02 -9.02052980776E-02 -9.55333660065E-02 -1.01161648096E-01 -1.07104213752E-01 -1.13375367693E-01 -1.19989581347E-01 -1.26961421306E-01 -1.34305454928E-01 -1.42036150399E-01 -1.50167751153E-01 -1.58714140754E-01 -1.67688679483E-01 -1.77104027691E-01 -1.86971937287E-01 -1.97303024861E-01 -2.08106513573E-01 -2.19389945173E-01 -2.31158866400E-01 -2.43416474652E-01 -2.56163239132E-01 -2.69396477011E-01 -2.83109903737E-01 -2.97293136975E-01 -3.11931174666E-01 -3.27003828071E-01 -3.42485132248E-01 -3.58342715262E-01 -3.74537153884E-01 -3.91021296866E-01 -4.07739588471E-01 -4.24627377557E-01 -4.41610248128E-01 -4.58603362609E-01 -4.75510858052E-01 -4.92225298733E-01 -5.08627218286E-01 -5.24584784200E-01 -5.39953603367E-01 -5.54576727323E-01 -5.68284875627E-01 -5.80896949182E-01 -5.92220859778E-01 -6.02054755921E-01 -6.10188679143E-01 -6.16406736618E-01 -6.20489825515E-01 -6.22218996808E-01 -6.21379486677E-01 -6.17765491730E-01 -6.11185696786E-01 -6.01469601530E-01 -5.88474613496E-01 -5.72093894862E-01 -5.52264860341E-01 -5.28978214204E-01 -5.02287316227E-01 -4.72317605585E-01 -4.39275723804E-01 -4.03457846377E-01 -3.65256648549E-01 -3.25166152401E-01 -2.83783604638E-01 -2.41807337219E-01 -2.00029465558E-01 -1.59322100398E-01 -1.20615699891E-01 -8.48680922355E-02 -5.30227939476E-02 -2.59553533905E-02 -4.40683530082E-03 1.10959317038E-02 2.03328182101E-02 2.34938573862E-02 2.12902600501E-02 1.50673206796E-02 6.91065113197E-03 -2.66406009644E-04 -2.67059502361E-03 4.36681991420E-03 2.63023226519E-02 6.91770369854E-02 1.39261681199E-01 2.42510533808E-01 3.83787125785E-01 5.65833343809E-01 7.87974711026E-01 1.04459449709E+00 1.32347820174E+00 1.60424186851E+00 1.85723302472E+00 2.04355982596E+00 2.11730147705E+00 2.03153839623E+00 1.75065996156E+00 1.27284345593E+00 6.66088887431E-01 1.45002909630E-01 -8.46766259049E-03 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 9 Number of nonzero Dij 1 1 9.84270285458E-01 1 2 1.96775533101E+00 2 2 -1.60117938980E+00 3 3 -1.03376896782E+00 3 4 3.07213970700E+00 4 4 -8.48182987967E-01 5 5 6.40748018406E+01 5 6 -7.23863100655E+01 6 6 8.14945822069E+01 8 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 8.00000000000E-01 2 8.00000000000E-01 3 8.00000000000E-01 4 8.00000000000E-01 5 8.00000000000E-01 1 1 0 i j (l(j)) -5.62338831297E-01 Q_int 0.00000000000E+00 5.65374275346E-12 2.30031943546E-11 5.26482054564E-11 9.52126696244E-11 1.51345409763E-10 2.21721096088E-10 3.07041196746E-10 4.08034962233E-10 5.25460444777E-10 6.60105553934E-10 8.12789149631E-10 9.84362174001E-10 1.17570882334E-09 1.38774776159E-09 1.62143337681E-09 1.87775708217E-09 2.15774866290E-09 2.46247767096E-09 2.79305486902E-09 3.15063372539E-09 3.53641196189E-09 3.95163315624E-09 4.39758840113E-09 4.87561802172E-09 5.38711335381E-09 5.93351858464E-09 6.51633265855E-09 7.13711124980E-09 7.79746880490E-09 8.49908065673E-09 9.24368521315E-09 1.00330862225E-08 1.08691551190E-08 1.17538334502E-08 1.26891353900E-08 1.36771503399E-08 1.47200456220E-08 1.58200692652E-08 1.69795528913E-08 1.82009147001E-08 1.94866625612E-08 2.08393972125E-08 2.22618155724E-08 2.37567141664E-08 2.53269926754E-08 2.69756576073E-08 2.87058260970E-08 3.05207298402E-08 3.24237191645E-08 3.44182672425E-08 3.65079744531E-08 3.86965728945E-08 4.09879310558E-08 4.33860586510E-08 4.58951116226E-08 4.85193973198E-08 5.12633798577E-08 5.41316856630E-08 5.71291092145E-08 6.02606189828E-08 6.35313635779E-08 6.69466781114E-08 7.05120907802E-08 7.42333296802E-08 7.81163298574E-08 8.21672406048E-08 8.63924330141E-08 9.07985077897E-08 9.53923033357E-08 1.00180904125E-07 1.05171649357E-07 1.10372141924E-07 1.15790257680E-07 1.21434155038E-07 1.27312284903E-07 1.33433400948E-07 1.39806570243E-07 1.46441184265E-07 1.53346970280E-07 1.60534003129E-07 1.68012717415E-07 1.75793920126E-07 1.83888803685E-07 1.92308959457E-07 2.01066391734E-07 2.10173532192E-07 2.19643254862E-07 2.29488891611E-07 2.39724248173E-07 2.50363620724E-07 2.61421813043E-07 2.72914154260E-07 2.84856517229E-07 2.97265337532E-07 3.10157633145E-07 3.23551024789E-07 3.37463756981E-07 3.51914719824E-07 3.66923471546E-07 3.82510261820E-07 3.98696055905E-07 4.15502559607E-07 4.32952245117E-07 4.51068377744E-07 4.69875043573E-07 4.89397178078E-07 5.09660595737E-07 5.30692020664E-07 5.52519118303E-07 5.75170528234E-07 5.98675898093E-07 6.23065918690E-07 6.48372360328E-07 6.74628110388E-07 7.01867212214E-07 7.30124905343E-07 7.59437667135E-07 7.89843255834E-07 8.21380755130E-07 8.54090620261E-07 8.88014725707E-07 9.23196414543E-07 9.59680549494E-07 9.97513565762E-07 1.03674352568E-06 1.07742017524E-06 1.11959500264E-06 1.16332129875E-06 1.20865421979E-06 1.25565085207E-06 1.30437027905E-06 1.35487365070E-06 1.40722425519E-06 1.46148759319E-06 1.51773145462E-06 1.57602599812E-06 1.63644383326E-06 1.69906010557E-06 1.76395258453E-06 1.83120175461E-06 1.90089090940E-06 1.97310624913E-06 2.04793698137E-06 2.12547542540E-06 2.20581712002E-06 2.28906093526E-06 2.37530918778E-06 2.46466776037E-06 2.55724622556E-06 2.65315797348E-06 2.75252034413E-06 2.85545476427E-06 2.96208688899E-06 3.07254674819E-06 3.18696889816E-06 3.30549257829E-06 3.42826187331E-06 3.55542588110E-06 3.68713888623E-06 3.82356053959E-06 3.96485604418E-06 4.11119634729E-06 4.26275833939E-06 4.41972505979E-06 4.58228590951E-06 4.75063687141E-06 4.92498073797E-06 5.10552734690E-06 5.29249382495E-06 5.48610484007E-06 5.68659286225E-06 5.89419843350E-06 6.10917044700E-06 6.33176643594E-06 6.56225287237E-06 6.80090547630E-06 7.04800953550E-06 7.30386023634E-06 7.56876300601E-06 7.84303386659E-06 8.12699980131E-06 8.42099913348E-06 8.72538191843E-06 9.04051034900E-06 9.36675917508E-06 9.70451613749E-06 1.00541824170E-05 1.04161730985E-05 1.07909176517E-05 1.11788604281E-05 1.15804611748E-05 1.19961955665E-05 1.24265557558E-05 1.28720509424E-05 1.33332079614E-05 1.38105718928E-05 1.43047066915E-05 1.48161958388E-05 1.53456430169E-05 1.58936728062E-05 1.64609314067E-05 1.70480873846E-05 1.76558324440E-05 1.82848822260E-05 1.89359771343E-05 1.96098831901E-05 2.03073929162E-05 2.10293262512E-05 2.17765314958E-05 2.25498862910E-05 2.33502986303E-05 2.41787079071E-05 2.50360859972E-05 2.59234383798E-05 2.68418052957E-05 2.77922629468E-05 2.87759247352E-05 2.97939425467E-05 3.08475080771E-05 3.19378542046E-05 3.30662564093E-05 3.42340342420E-05 3.54425528423E-05 3.66932245103E-05 3.79875103311E-05 3.93269218559E-05 4.07130228406E-05 4.21474310438E-05 4.36318200871E-05 4.51679213788E-05 4.67575261040E-05 4.84024872826E-05 5.01047218981E-05 5.18662131000E-05 5.36890124802E-05 5.55752424296E-05 5.75270985732E-05 5.95468522909E-05 6.16368533227E-05 6.37995324645E-05 6.60374043558E-05 6.83530703625E-05 7.07492215588E-05 7.32286418115E-05 7.57942109686E-05 7.84489081582E-05 8.11958151998E-05 8.40381201318E-05 8.69791208599E-05 9.00222289303E-05 9.31709734311E-05 9.64290050276E-05 9.98001001349E-05 1.03288165233E-04 1.06897241327E-04 1.10631508566E-04 1.14495291007E-04 1.18493061557E-04 1.22629447068E-04 1.26909233614E-04 1.31337371949E-04 1.35918983141E-04 1.40659364407E-04 1.45563995144E-04 1.50638543158E-04 1.55888871112E-04 1.61321043192E-04 1.66941331990E-04 1.72756225633E-04 1.78772435142E-04 1.84996902046E-04 1.91436806251E-04 1.98099574174E-04 2.04992887151E-04 2.12124690132E-04 2.19503200664E-04 2.27136918176E-04 2.35034633583E-04 2.43205439202E-04 2.51658739010E-04 2.60404259237E-04 2.69452059324E-04 2.78812543235E-04 2.88496471157E-04 2.98514971588E-04 3.08879553818E-04 3.19602120844E-04 3.30694982694E-04 3.42170870209E-04 3.54042949273E-04 3.66324835513E-04 3.79030609494E-04 3.92174832403E-04 4.05772562259E-04 4.19839370651E-04 4.34391360027E-04 4.49445181548E-04 4.65018053529E-04 4.81127780476E-04 4.97792772752E-04 5.15032066870E-04 5.32865346454E-04 5.51312963874E-04 5.70395962579E-04 5.90136100150E-04 6.10555872093E-04 6.31678536391E-04 6.53528138844E-04 6.76129539213E-04 6.99508438197E-04 7.23691405257E-04 7.48705907323E-04 7.74580338402E-04 8.01344050110E-04 8.29027383159E-04 8.57661699823E-04 8.87279417403E-04 9.17914042728E-04 9.49600207715E-04 9.82373706007E-04 1.01627153073E-03 1.05133191339E-03 1.08759436394E-03 1.12509971204E-03 1.16389014952E-03 1.20400927418E-03 1.24550213476E-03 1.28841527729E-03 1.33279679279E-03 1.37869636626E-03 1.42616532718E-03 1.47525670134E-03 1.52602526415E-03 1.57852759545E-03 1.63282213580E-03 1.68896924430E-03 1.74703125797E-03 1.80707255272E-03 1.86915960585E-03 1.93336106031E-03 1.99974779043E-03 2.06839296941E-03 2.13937213845E-03 2.21276327760E-03 2.28864687817E-03 2.36710601703E-03 2.44822643246E-03 2.53209660175E-03 2.61880782052E-03 2.70845428369E-03 2.80113316816E-03 2.89694471708E-03 2.99599232586E-03 3.09838262968E-03 3.20422559260E-03 3.31363459821E-03 3.42672654171E-03 3.54362192338E-03 3.66444494346E-03 3.78932359817E-03 3.91838977696E-03 4.05177936078E-03 4.18963232127E-03 4.33209282074E-03 4.47930931285E-03 4.63143464368E-03 4.78862615316E-03 4.95104577656E-03 5.11886014584E-03 5.29224069067E-03 5.47136373869E-03 5.65641061496E-03 5.84756773996E-03 6.04502672614E-03 6.24898447229E-03 6.45964325558E-03 6.67721082059E-03 6.90190046505E-03 7.13393112154E-03 7.37352743468E-03 7.62091983320E-03 7.87634459608E-03 8.14004391213E-03 8.41226593215E-03 8.69326481285E-03 8.98330075152E-03 9.28264001055E-03 9.59155493064E-03 9.91032393152E-03 1.02392314991E-02 1.05785681574E-02 1.09286304243E-02 1.12897207488E-02 1.16621474293E-02 1.20462245098E-02 1.24422716533E-02 1.28506139894E-02 1.32715819348E-02 1.37055109840E-02 1.41527414673E-02 1.46136182748E-02 1.50884905416E-02 1.55777112935E-02 1.60816370481E-02 1.66006273693E-02 1.71350443707E-02 1.76852521646E-02 1.82516162528E-02 1.88345028537E-02 1.94342781633E-02 2.00513075429E-02 2.06859546302E-02 2.13385803682E-02 2.20095419445E-02 2.26991916381E-02 2.34078755645E-02 2.41359323136E-02 2.48836914744E-02 2.56514720367E-02 2.64395806648E-02 2.72483098324E-02 2.80779358128E-02 2.89287165127E-02 2.98008891426E-02 3.06946677125E-02 3.16102403428E-02 3.25477663803E-02 3.35073733076E-02 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